1-[(3R)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3R)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3R)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3R)-5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3R)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5R)-3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-2-pyrazolin-1-yl]propan-1-one Formula: C27H23BrN4O MolecularWeight: 499.40172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)Br)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23BrN4O/c1-2-26(33)32-25(17-24(29-32)19-13-15-21(28)16-14-19)23-18-31(22-11-7-4-8-12-22)30-27(23)20-9-5-3-6-10-20/h3-16,18,25H,2,17H2,1H3/t25-/m1/s1